chempirical

Cyclohexane-1,2-diol

C6H12O2CAS 931-17-9116.16 g/mol

Open in Covalent MOL file
HOHO
Alcohol

Properties

Molecular formula
C6H12O2
Molar mass
116.16 g/mol
Exact mass
116.0837 Da
Density
0.9482 g/mL (at 20 °C)
Melting point
75–76 °C
Boiling point
225 °C
logP
0.28Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
931-17-9
SMILES
OC1CCCCC1O
InChIKey
PFURGBBHAOXLIO-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names
  • 1,2-Cyclohexanediol
  • Pyrocatechitol
  • 1,2-Benzenediol, hexahydro-
  • 2-Hydroxycyclohexanol
  • 1,2-Dihydroxycyclohexane
  • NSC 10110

Work with Cyclohexane-1,2-diol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

trans-1,2-Cyclohexanediol1460-57-7100 % similar cis-1,2-Cyclohexanediol1792-81-0100 % similar 2-Methylcyclohexanol583-59-556 % similar cis-2-Methylcyclohexanol7443-70-156 % similar (1R,2R)-2-Aminocyclohexanol931-16-856 % similar 2-tert-Butylcyclohexanol13491-79-748 % similar Cyclopentanol96-41-347 % similar Cyclohexanol108-93-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Hydroxymethyl)tetrahydropyran100-72-1 3-Methylpentanoic acid105-43-1 sec-Butyl acetate105-46-4 Ethyl butyrate105-54-4 Propyl propanoate106-36-5 3,3-Dimethylbutanoic acid1070-83-3 Isobutyl acetate110-19-0 Isoamyl formate110-45-2

Elsewhere

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